Methyl (1Ar,4E,6S,7S,7Ar,10As,10Br)-6-Acetoxy-7-({[(2R,3R)-2,3-Dimethyl-2-Oxiranyl]Carbonyl}Oxy)-1A-Methyl-8-Methylene-9-Oxo-1A,2,3,6,7,7A,8,9,10A,10B-Decahydrooxireno[9,10]Cyclodeca[1,2-B]Furan-5-Carboxylate

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Formula C23H28O10
IUPAC Name methyl (1ar,4e,6s,7s,7ar,10as,10br)-6-acetoxy-7-({[(2r,3r)-2,3-dimethyl-2-oxiranyl]carbonyl}oxy)-1a-methyl-8-methylene-9-oxo-1a,2,3,6,7,7a,8,9,10a,10b-decahydrooxireno[9,10]cyclodeca[1,2-b]furan-5-carboxylate
Molecular Mass 464.462 g·mol−1
Heat of Formation -1501.1 ± 16.7 kJ·mol−1
Dipole Moment 5.41 ± 1.08 D
Volume 535.71 Å 3
Surface Area 384.2 Å 2
HOMO Energy -10.54 ± 0.55 eV
LUMO Energy 2.29 ± eV
Point Group Symmetry C1
Synonyms
  • enhydrin
CAS Number(s)
  • 33880-85-2
InChIKey VCBNPTWPJQLHQN-FQAPAZNFSA-N
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Elements H C O